7R7F

Synechococcus Olefin Synthase FAAL domain R336A in complex with stearoyl adenylate and pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	199.087, 60.602, 95.143
Unit cell angles	90.00, 101.11, 90.00

Refinement procedure

Resolution	50.500 - 2.130
R-factor	0.2118
Rwork	0.211
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lnv
RMSD bond length	0.009
RMSD bond angle	1.136
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.500	2.260
High resolution limit [Å]	2.130	2.130
Rmerge	0.126	0.753
Number of reflections	119685	19634
<I/σ(I)>	8.2	1.8
Completeness [%]	99.2	97.1
Redundancy	4.1	3.9
CC(1/2)	0.992	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.17-0.21 M NDSB-256 (Dimethylbenzylammonium Propane Sulfonate), 26-33% PEG 3350, 0.19-0.21 M ammonium acetate, 0.1M sodium acetate pH 5.5